(3R)-3-(5-chloranylthiophen-2-yl)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: (3R)-3-(5-chloranylthiophen-2-yl)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: (3R)-3-(5-chloro-2-thienyl)-3-[[(3R)-1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: (3R)-3-(5-chloro-2-thiophenyl)-3-[[oxo-[(3R)-1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: (3R)-3-(5-chlorothiophen-2-yl)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: (3R)-3-(5-chloro-2-thienyl)-3-[[(3R)-1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C21H30ClN3O4S MolecularWeight: 455.9986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NC(CC(=O)O)C3=CC=C(S3)Cl

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CCC2CCNCC2)C(=O)N[C@H](CC(=O)O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H30ClN3O4S/c22-18-5-4-17(30-18)16(12-20(27)28)24-21(29)15-2-1-11-25(13-15)19(26)6-3-14-7-9-23-10-8-14/h4-5,14-16,23H,1-3,6-13H2,(H,24,29)(H,27,28)/t15-,16-/m1/s1